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DocumentationIdentifier: MM355833
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355833 |
| SMILES |
CCOCC(=O)CCC=O
|
| InChIKey |
YCZGGINFVBBNHE-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156107
Similarity: 0.8554
Similarity to MM156107
| Tanimoto metric | 0.8554 |
|---|---|
| Cosine metric | 0.9249 |
| Dice metric | 0.9221 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45889
Similarity: 0.8434
Similarity to MM45889
| Tanimoto metric | 0.8434 |
|---|---|
| Cosine metric | 0.9184 |
| Dice metric | 0.915 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291908
Similarity: 0.7889
Similarity to MM291908
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.882 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
